Influencing factors and reaction mechanism for catalytic CO2 gasification of sawdust char using K-modified transition metal composite catalysts: Experimental and DFT studies

2020 ◽  
Vol 208 ◽  
pp. 112522 ◽  
Author(s):  
Weihong Jiao ◽  
Zhiqing Wang ◽  
Weiyong Jiao ◽  
Li Li ◽  
Zhijun Zuo ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Transition Metal ◽  
Influencing Factors ◽  
Metal Composite ◽  
Dft Studies ◽  
Co2 Gasification ◽  
Composite Catalysts

DFT studies on the key competing reaction steps towards complete ethanol oxidation on transition metal catalysts

2019 ◽  
Vol 156 ◽  
pp. 175-186 ◽  
Author(s):  
Bei Miao ◽  
Zhi-Peng Wu ◽  
Han Xu ◽  
Minhua Zhang ◽  
Yifei Chen ◽  
...  
Keyword(s):  
Transition Metal ◽  
Ethanol Oxidation ◽  
Metal Catalysts ◽  
Transition Metal Catalysts ◽  
Dft Studies

Preparation of transition metal composite graphite felt cathode for efficient heterogeneous electro-Fenton process

2016 ◽  
Vol 24 (2) ◽  
pp. 1122-1132 ◽  
Author(s):  
Liang Liang ◽  
Fangke Yu ◽  
Yiran An ◽  
Mengmeng Liu ◽  
Minghua Zhou
Keyword(s):  
Transition Metal ◽  
Metal Composite ◽  
Fenton Process ◽  
Graphite Felt

Relativistic DFT Study on the Reaction Mechanism of Second-Row Transition Metal Ru with CO2

2006 ◽  
Vol 110 (10) ◽  
pp. 3552-3558 ◽  
Author(s):  
Xian-Yang Chen ◽  
Yi-Xin Zhao ◽  
Shu-Guang Wang
Keyword(s):  
Reaction Mechanism ◽  
Transition Metal ◽  
Dft Study ◽  
Relativistic Dft

Density functional theory studies of transition metal carbides and nitrides as electrocatalysts

2021 ◽  
Author(s):  
Dong Tian ◽  
Steven R. Denny ◽  
Kongzhai Li ◽  
Hua Wang ◽  
Shyam Kattel ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Density Functional ◽  
Dft Studies ◽  
Metal Carbides ◽  
Functional Theory ◽  
Future Outlook ◽  
Transition Metal Carbides

This review summarizes density functional theory (DFT) studies of TMCs and TMNs as electrocatalysts. It provides atomistic details of HER, OER, ORR, N2RR and CO2RR and also presents a future outlook in designing TMCs and TMNs based electrocatalysts.

MRI compatibility of several early transition metal based alloys and its influencing factors

2017 ◽  
Vol 106 (1) ◽  
pp. 377-385 ◽  
Author(s):  
Da-Bo Zhou ◽  
Shao-Gang Wang ◽  
Shao-Ping Wang ◽  
Hong-Jun Ai ◽  
Jian Xu
Keyword(s):  
Transition Metal ◽  
Influencing Factors ◽  
Early Transition Metal ◽  
Early Transition

Understanding the reaction mechanism and performances of 3d transition metal cathodes for all-solid-state fluoride ion batteries

2021 ◽  
Vol 9 (1) ◽  
pp. 406-412
Author(s):  
Datong Zhang ◽  
Kentaro Yamamoto ◽  
Aika Ochi ◽  
Yanchang Wang ◽  
Takahiro Yoshinari ◽  
...  
Keyword(s):  
Energy Storage ◽  
Reaction Mechanism ◽  
Solid State ◽  
Transition Metal ◽  
Cathode Materials ◽  
High Energy ◽  
Fluoride Ion ◽  
Energy Storage Devices ◽  
Storage Devices

Fluoride ion batteries (FIBs) are regarded as promising energy storage devices, and it is important and urgent to develop cathode materials with high energy densities for use in FIBs.

Oxidation of 4-Lithium-diazasilacyclopentene with Transition Metal Halides / Oxidation of 4-Lithium-diazasilacyclopentene with Transition Metal Halides

1983 ◽  
Vol 38 (8) ◽  
pp. 953-954 ◽  
Author(s):  
Michael Hesse ◽  
Uwe Klingebiel
Keyword(s):  
Reaction Mechanism ◽  
Transition Metal ◽  
Metal Halides ◽  
Tert Butyl ◽  
Oxidation Potentials

4-Lithium-3,3,5-trimethyl-2-tert-butyl-1,2-diaza-3-sila-5-cyclopentene is oxidized in the reaction with transition metal halides and subsequently dimerizes. Oxidation potentials are given and a reaction mechanism is proposed.

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